Vilagletistat
methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
Molecular Identity
Vilagletistat
methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoate
PubChem CID: 72950407
2D Structure
Properties
C26H36N6O6
Molecular Formula
528.60
Molecular Weight
g/mol
528.2696
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
152
TPSA
May have limited oral absorption
3
H-Bond Donors
7
H-Bond Acceptors
958
Complexity
SMILES
Canonical SMILES
SMILES: CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)C(CCC=CC(=O)OC)NC(=O)C2=CN=CN2CIsomeric SMILES
SMILES: CCC(CC)CNC(=O)CN1C=CC=C(C1=O)NC(=O)[C@H](CC/C=C/C(=O)OC)NC(=O)C2=CN=CN2CSynonyms(20)
ZED-12271542132-88-6VilagletistatT4SR539YKFZED1227TAK-227methyl (E,6S)-7-[[1-[2-(2-ethylbutylamino)-2-oxoethyl]-2-oxopyridin-3-yl]amino]-6-[(3-methylimidazole-4-carbonyl)amino]-7-oxohept-2-enoatemethyl (E,6S)-7-((1-(2-(2-ethylbutylamino)-2-oxoethyl)-2-oxopyridin-3-yl)amino)-6-((3-methylimidazole-4-carbonyl)amino)-7-oxohept-2-enoateRefChem:195896GLUTAMINASEUNII-T4SR539YKFmethyl (S,E)-7-((1-(2-((2-ethylbutyl)amino)-2-oxoethyl)-2-oxo-1,2-dihydropyridin-3-yl)amino)-6-(1-methyl-1H-imidazole-5-carboxamido)-7-oxohept-2-enoateCHEMBL4081588GTPL12802(2E,6S)-7-[[1-[2-[(2-Ethylbutyl)amino]-2-oxoethyl]-1,2-dihydro-2-oxo-3-pyridinyl]amino]-6-[[(1-methyl-1H-imidazol-5-yl)carbonyl]amino]-7-oxo-2-heptenoic Acid Methyl Ester
Data from PubChem (NCBI)
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